2'-tert-butyl-7'-propan-2-ylspiro[cyclopentane-1,9'-fluorene]

C24H30 — CID 170534798

IUPAC2'-tert-butyl-7'-propan-2-ylspiro[cyclopentane-1,9'-fluorene]
SMILESCC(C)c1ccc2c(c1)C1(CCCC1)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C24H30/c1-16(2)17-8-10-19-20-11-9-18(23(3,4)5)15-22(20)24(21(19)14-17)12-6-7-13-24/h8-11,14-16H,6-7,12-13H2,1-5H3
InChIKeyFWXUBQVHVXBPPX-UHFFFAOYSA-N
MW318.50 g/mol
LogP6.95
Rot. Bonds1

About 2'-tert-butyl-7'-propan-2-ylspiro[cyclopentane-1,9'-fluorene]

2'-tert-butyl-7'-propan-2-ylspiro[cyclopentane-1,9'-fluorene] (PubChem CID 170534798) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 2'-tert-butyl-7'-propan-2-ylspiro[cyclopentane-1,9'-fluorene].

Molecular Properties

Compound Name2'-tert-butyl-7'-propan-2-ylspiro[cyclopentane-1,9'-fluorene]
PubChem CID170534798
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name2'-tert-butyl-7'-propan-2-ylspiro[cyclopentane-1,9'-fluorene]
SMILESCC(C)c1ccc2c(c1)C1(CCCC1)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C24H30/c1-16(2)17-8-10-19-20-11-9-18(23(3,4)5)15-22(20)24(21(19)14-17)12-6-7-13-24/h8-11,14-16H,6-7,12-13H2,1-5H3
InChIKeyFWXUBQVHVXBPPX-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(9S)-2-tert-butyl-9-methyl-7-propan-2-ylfluoren-9-ol
CID 130401999
2'-tert-butylspiro[cyclohexane-1,9'-fluorene]
CID 168798514
2',7'-di(propan-2-yl)spiro[cyclopentene-4,9'-fluorene]
CID 178181319
2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane]
CID 90365446
2'-(3,5-ditert-butylphenyl)spiro[cyclopentane-1,9'-fluorene]
CID 170924915
2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene]
CID 59318763
5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 82085220
4-tert-butyl-2-methyl-1-(3-propan-2-ylphenyl)benzene
CID 165380290
10-methyl-3-propan-2-ylspiro[acridine-9,1'-cyclopentane]
CID 70882727
1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine
CID 117366356
2-(4-tert-butyl-2-methylphenyl)-1-methyl-4-propan-2-ylpyridin-1-ium
CID 159726150
5,5,8,8,12,12,16,16,19,19-decamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene;2,7-ditert-butyl-9,9-dimethylfluorene
CID 159255668

Frequently Asked Questions

What is the IUPAC name of 2'-tert-butyl-7'-propan-2-ylspiro[cyclopentane-1,9'-fluorene]?
The IUPAC name of 2'-tert-butyl-7'-propan-2-ylspiro[cyclopentane-1,9'-fluorene] (CID 170534798) is 2'-tert-butyl-7'-propan-2-ylspiro[cyclopentane-1,9'-fluorene].
What is the SMILES notation for 2'-tert-butyl-7'-propan-2-ylspiro[cyclopentane-1,9'-fluorene]?
The canonical SMILES for 2'-tert-butyl-7'-propan-2-ylspiro[cyclopentane-1,9'-fluorene] is CC(C)c1ccc2c(c1)C1(CCCC1)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2'-tert-butyl-7'-propan-2-ylspiro[cyclopentane-1,9'-fluorene]?
The InChIKey is FWXUBQVHVXBPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30/c1-16(2)17-8-10-19-20-11-9-18(23(3,4)5)15-22(20)24(21(19)14-17)12-6-7-13-24/h8-11,14-16H,6-7,12-13H2,1-5H3.
What are the key properties of 2'-tert-butyl-7'-propan-2-ylspiro[cyclopentane-1,9'-fluorene]?
2'-tert-butyl-7'-propan-2-ylspiro[cyclopentane-1,9'-fluorene] has a molecular weight of 318.50 g/mol, XLogP of 6.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-tert-butyl-7'-propan-2-ylspiro[cyclopentane-1,9'-fluorene] is sourced from PubChem (CID 170534798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).